[gmx-users] regarding boxtype and numer of solvent molecules..

Mark Abraham Mark.Abraham at anu.edu.au
Tue Jan 24 10:17:47 CET 2012

On 24/01/2012 3:47 PM, priya thiyagarajan wrote:
> hello sir,
> Thanks for your kind reply..
> 15 boxtype accomodates 105046 solvent molecules..

Hence why adding a maximum of 50000 solvent molecules left lots of empty 

> but i need to run simulation by keeping  number of water molecules 
> constant and changing number of protein molecules..

You can't do that and keep density normal and box size constant.


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